Title of article
First-principles calculations in processing of nuclear resonance spectra
Author/Authors
Arzhnikov، نويسنده , , A.K. and Dobysheva، نويسنده , , L.V.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2010
Pages
8
From page
313
To page
320
Abstract
Some nuclear resonance experiments are reconsidered using comparison with first-principles calculations. The general problem of processing of spectra and further interpretation of parameters obtained is discussed. The parameters of hyperfine interaction for systems Fe5SiC, Fe–Si, Fe–Al and a multilayer system Fe9/Cr5 are calculated. Typical mistakes in processing of Mossbauer or NMR spectra and estimation of local atomic properties are revealed.
Keywords
Mossbauer spectroscopy , Nuclear magnetic resonance , First-principles calculation
Journal title
Computational Materials Science
Serial Year
2010
Journal title
Computational Materials Science
Record number
1687620
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